1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one

C11H22N2O — CID 63755069

IUPAC1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCCC1CN
InChIInChI=1S/C11H22N2O/c1-4-11(2,3)10(14)13-7-5-6-9(13)8-12/h9H,4-8,12H2,1-3H3
InChIKeyXRCSBHNMBSINGJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds3

About 1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one

1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one (PubChem CID 63755069) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one
PubChem CID63755069
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one
SMILESCCC(C)(C)C(=O)N1CCCC1CN
InChIInChI=1S/C11H22N2O/c1-4-11(2,3)10(14)13-7-5-6-9(13)8-12/h9H,4-8,12H2,1-3H3
InChIKeyXRCSBHNMBSINGJ-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one
CID 63755560
2,2-dimethyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one
CID 79540481
1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde
CID 88907637
(2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane
CID 175444438
1-(2,2-dimethylbutanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069694
3-amino-1-(2-ethylazepan-1-yl)-2,2-dimethylpropan-1-one
CID 104689401
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one
CID 107217992
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
2-(aminomethyl)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 113270081
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 82503098

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one?
The IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one (CID 63755069) is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one is CCC(C)(C)C(=O)N1CCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one?
The InChIKey is XRCSBHNMBSINGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-11(2,3)10(14)13-7-5-6-9(13)8-12/h9H,4-8,12H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one?
1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one is sourced from PubChem (CID 63755069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).